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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H37O3.Na
Molecular Weight 396.5385
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 3β-hydroxy-Δ5-cholenoate

SMILES

[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC([O-])=O

InChI

InChIKey=YJAUPWHOLQUGSU-ODOGWOHFSA-M
InChI=1S/C24H38O3.Na/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3;/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27);/q;+1/p-1/t15-,17+,18+,19-,20+,21+,23+,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C24H37O3
Molecular Weight 373.5488
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:45 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:45 GMT 2023
Record UNII
ZVK58M7SR3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 3β-hydroxy-Δ5-cholenoate
Common Name English
Chol-5-en-24-oic acid, 3-hydroxy-, monosodium salt, (3β)-
Common Name English
Sodium 3β-hydroxy-Δ5-cholanoate
Common Name English
Chol-5-en-24-oic acid, 3β-hydroxy-, monosodium salt
Common Name English
Code System Code Type Description
FDA UNII
ZVK58M7SR3
Created by admin on Sat Dec 16 19:53:45 GMT 2023 , Edited by admin on Sat Dec 16 19:53:45 GMT 2023
PRIMARY
PUBCHEM
168429543
Created by admin on Sat Dec 16 19:53:45 GMT 2023 , Edited by admin on Sat Dec 16 19:53:45 GMT 2023
PRIMARY
CAS
29818-55-1
Created by admin on Sat Dec 16 19:53:45 GMT 2023 , Edited by admin on Sat Dec 16 19:53:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE